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Stilbostat

CAT: 0013-GTR19242021-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242021-02Size:50 mg
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Description
STILBOSTAT is a hormone-cell stasis agent that does not inhibit estradiol binding in rat uterine or human breast tissue estrogen receptors. It is used in research to study hormone-responsive pathways in models of breast cancer and mammary tumors, both in vitro and in vivo.
CAS Number
15470-58-3
Smiles
C (=C (/CC) \C1=CC=C (OC (N (CCCl) CCCl) =O) C=C1) (\CC) /C2=CC=C (OC (N (CCCl) CCCl) =O) C=C2
Molecular Formula
C28H34Cl4N2O4
Molecular Weight
604.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Stilbostat

carbamidic deriv of tetrakis(2-chloroethyl)-stilbestrol; structure

CAS Number15470-58-3
PubChem CID3037081
IUPAC Name[4-[(E)-4-[4-[bis(2-chloroethyl)carbamoyloxy]phenyl]hex-3-en-3-yl]phenyl] N,N-bis(2-chloroethyl)carbamate
Molecular FormulaC28H34Cl4N2O4
Molecular Weight604.4
XLogP8.2
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count38
Formal Charge0
Complexity666
SMILES
CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)N(CCCl)CCCl)/C2=CC=C(C=C2)OC(=O)N(CCCl)CCCl
InChI
InChI=1S/C28H34Cl4N2O4/c1-3-25(21-5-9-23(10-6-21)37-27(35)33(17-13-29)18-14-30)26(4-2)22-7-11-24(12-8-22)38-28(36)34(19-15-31)20-16-32/h5-12H,3-4,13-20H2,1-2H3/b26-25+
InChIKey
BOIZOYRDXIYMCY-OCEACIFDSA-N
Chemical Structure
2D Structure
2D structure of Stilbostat
CAS: 15470-58-3
CID: 3037081
Formula: C28H34Cl4N2O4
MW: 604.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.4
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass604.124318
Monoisotopic Mass602.127268
Topological Polar Surface Area59.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202520-01Stilbostat

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